AG008NL2

78887-36-2 | (5-Acetamido-2-nitro)benzeneboronicacid

AG008NL2

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CAS Number	78887-36-2
Catalog Number	AG008NL2(AGN-PC-0713ER)
Chemical Name	(5-Acetamido-2-nitro)benzeneboronicacid
IUPAC Name	(5-acetamido-2-nitrophenyl)boronic acid
InChI	InChI=1S/C8H9BN2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4,13-14H,1H3,(H,10,12)
InChI Key	VDKGDBOETDSECW-UHFFFAOYSA-N
MDL Number	MFCD06659829
Molecular Formula	C8H9BN2O5
Molecular Weight	223.9785
SMILES	O=[N+](C1=CC=C(NC(C)=O)C=C1B(O)O)[O-]
Synonyms	78887-36-2, 5-ACETAMIDO-2-NITROPHENYLBORONIC ACID, (5-ACETAMIDO-2-NITRO)BENZENEBORONIC ACID, (5-Acetamido-2-nitro)benzeneboronicacid, (5-acetamido-2-nitrophenyl)boronic acid, 5-Acetamido-2-nitrobenzeneboronic acid, C8H9BN2O5, (5-acetamido-2-nitro-phenyl)boronic acid, MFCD06659829, Boronic acid,[5-(acetylamino)-2-nitrophenyl]- (9CI), ACMC-209pfq, CTK5E6190, DTXSID40657330, ZX-AT009866, 5-Acetamido-2-nitrophenylboronic aci, ANW-37236, OR5539, AKOS015837713, ZINC169745142, AB26419, CA-2157, VB10477, BC001329, AX8006434, TR-025174, FT-0083811, FT-0641699, ST24034791, X0999, A-3624, A839524, C-12607, I04-1988, BENZENEBORONICACID, ACN-042950,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.06g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	223.979g/mol
Monoisotopic Mass	224.06g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	115A^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

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