AG0035WM

618-89-3 | Methyl 3-bromobenzoate

AG0035WM

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CAS Number	618-89-3
Catalog Number	AG0035WM(AGN-PC-07H7UO)
Chemical Name	Methyl 3-bromobenzoate
EC Number	210-569-9
IUPAC Name	methyl 3-bromobenzoate
InChI	InChI=1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key	KMFJVYMFCAIRAN-UHFFFAOYSA-N
MDL Number	MFCD00017777
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	7319
SMILES	BrC=1C=C(C(=O)OC)C=CC1
Synonyms	METHYL 3-BROMOBENZOATE, 618-89-3, 3-Bromobenzoic Acid Methyl Ester, Methyl m-bromobenzoate, Benzoic acid, 3-bromo-, methyl ester, 3-Bromobenzoic acid, methyl ester, methyl-3-bromobenzoate, Benzoic acid, m-bromo-, methyl ester, Methyl 3-bromobenzoate, 98%, m-Bromobenzoic acid methyl ester, KMFJVYMFCAIRAN-UHFFFAOYSA-N, MFCD00017777, NSC 7319, EINECS 210-569-9, PubChem3961, Methyl m-bromo benzoate, methyl 3-bromo-benzoate, methyl-3-bromo-benzoate, methyl 3-bromanylbenzoate, AC1L1YS0, AC1Q43IY, ACMC-1B64X, SCHEMBL145700, RARECHEM AL BF 0052, DTXSID6060688, 3-methoxycarbonyl-1-bromobenzene, CTK3J3274, NSC7319, 3-bromo-benzoic acid methyl ester, ATTERCOP-CHM AT108933, ZINC403315, ACT08420, BCP23071, KS-00000L7E, NSC-7319, ANW-33980, CM0110, SBB063142, AKOS008903583, AS03616, CS-W005465, DS-1402, MCULE-9085146987, RTR-021287, AJ-22028, AK-73031, AN-46642, BC002676, BR-73031, CJ-03843, SC-05791, SY002781, ZB013162, DB-002214, ST2419546, TL8003972, TR-021287, 4CH-014077, AM20040869, B0554, FT-0615205, ST50307759, MFCD00017777 (98%), M-4204, A833469, I01-0578, W-105084, InChI=1/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H, C8H7BrO2, Benzoic acid, methyl ester, C8-H7-Br-O2, CID12070, ACN-043743, Methyl 3-bromobenzoate, 98% - 25G 25g,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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