AG00357D

99768-12-4 | Methyl 4-Boronobenzoate

AG00357D

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CAS Number	99768-12-4
Catalog Number	AG00357D(AGN-PC-0KK6J3)
Chemical Name	Methyl 4-Boronobenzoate
EC Number	619-459-9
IUPAC Name	(4-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
InChI Key	PQCXFUXRTRESBD-UHFFFAOYSA-N
MDL Number	MFCD01632203
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	O=C(OC)c1ccc(cc1)B(O)O
Synonyms	99768-12-4, 4-Methoxycarbonylphenylboronic acid, Methyl 4-boronobenzoate, 4-(Methoxycarbonyl)phenylboronic acid, (4-(Methoxycarbonyl)phenyl)boronic acid, (4-Methoxycarbonylphenyl)boronic acid, 4-(Methoxycarbonyl)benzeneboronic Acid, 4-Methoxycarbonylbenzeneboronic acid, [4-(methoxycarbonyl)phenyl]boronic acid, p-(methoxycarbonyl)phenylboronic acid, 4-carbomethoxyphenylboronic acid, 4-(methoxycabonyl)phenylboronic acid, Methyl 4-(Dihydroxyboranyl)Benzoate, MFCD01632203, AK-45488, Methyl4-boronobenzoate, PubChem6095, ACMC-209sdz, AC1MC0Z9, AMTB012, KSC494M3B, SCHEMBL140644, 3-Ethoxycarbonylphenylboronicacid, CHEMBL1824169, p-carbomethoxyphenyl boronic acid, 4-Carbomethoxybenzeneboronic acid, CTK3J4630, 4-Methoxycarbonylphenylboronicacid, 4-methoxycarboxyphenylboronic acid, DTXSID40370259, Methyl 4-(dihydroxyboryl)benzoate, p-methoxycarbonylphenylboronic acid, PQCXFUXRTRESBD-UHFFFAOYSA-N, 4-(carbomethoxy)phenylboronic acid, ZXBA000074, 4-methoxycarbonyl phenylboronic acid, 4-methoxycarbonyl-phenylboronic acid, 4-methoxycarbonylphenyl boronic acid, 4-methoxycarbonylphenyl-boronic acid, AC1Q4360, ACN-S003918, ACT10979, ALBB-006125, BCP03529, ZX-AN005987, ZX-AT006366, 4-methoxycarbonyl phenyl boronic acid, 4-methoxycarbonyl-phenyl boronic acid, 4-methoxycarbonyl-phenyl-boronic acid, ANW-41061, CM-426, FCH931810, OR5354, SBB048077, STK503726, (4-methoxycarbonylphenyl)-boronic acid, 4-(methoxycarbonyl) phenylboronic acid, 4-(methoxycarbonyl)-phenylboronic acid, 4-(methoxycarbonyl)phenyl-boronic acid, AKOS000264853, ZINC169744908, 4-(Methoxycarbonyl)phenyl boronic acid, AB09470, AC-2895, AM62784, AS-2263, CS-W003977, LS10894, QC-4542, RL06137, RP09340, RTC-069068, TRA0065338, (4-methoxycarbonyl-phenyl) boronic acid, 4-(methoxycarbonyl) phenyl boronic acid, KS-0000022Q, NCGC00249475-01, (4-(methoxycarbonyl)phenyl) boronic acid, [4-(methoxy carbonyl)phenyl]boronic acid, [4-(methoxycarbonyl)-phenyl]boronic acid, AN-13491, BC000699, BP-11412, BR-45488, CC-19763, FS000893, SC-07558, SY003283, Benzoic acid, 4-borono-, 1-methyl ester, AB0000384, AB1004690, AX8006451, DB-025026, ST2408006, TC-069068, TL8006078, {4-[(methyloxy)carbonyl]phenyl}boronic acid, FT-0084920, FT-0601787, M1907, B-1308, MFCD01632203 (97+%), 768M124, C-06616, I01-0970, J-515664, Methyl 4-boronobenzoate; 4-(Methoxycarbonyl)benzeneboronic acid, C8H9BO4, 3-(Ethoxycarbonyl)phenylboronic acid, RW1600, ACN-029135, CID2734369, A6989, A11346, 4-Methoxycarbonylphenylboronic acid, 98% - 1G 1g, 4334-87-6, 5949-44-0,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number