AG004SIB

850567-99-6 | 3-(E-2-Nitrovinyl)phenylboronic acid

AG004SIB

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CAS Number	850567-99-6
Catalog Number	AG004SIB(AGN-PC-0UX3K9)
Chemical Name	3-(E-2-Nitrovinyl)phenylboronic acid
IUPAC Name	[3-[(E)-2-nitroethenyl]phenyl]boronic acid
InChI	InChI=1S/C8H8BNO4/c11-9(12)8-3-1-2-7(6-8)4-5-10(13)14/h1-6,11-12H/b5-4+
InChI Key	WBBJYMBZMJTILK-SNAWJCMRSA-N
MDL Number	MFCD04115658
Molecular Formula	C8H8BNO4
Molecular Weight	192.9644
SMILES	OB(C1=CC=CC(/C=C/[N+](=O)[O-])=C1)O
Synonyms	(E)-(3-(2-Nitrovinyl)phenyl)boronic acid, 3-[(E)-2-Nitrovinyl]phenylboronic acid, 3-(E-2-Nitrovinyl)phenylboronic acid, 850567-99-6, AC1NZJFN, SCHEMBL12097924, SCHEMBL12097925, ZX-AT021510, FCH918950, MFCD04115658, 3-(2-nitroethenyl)phenylboronic acid, AKOS006228030, ZINC169745556, FCH3731965, OR13118, RTR-026465, VB10666, (E)-3-(2-nitrovinyl)phenylboronic acid, AX8006267, DB-015985, ST2402508, TR-026465, [3-[(E)-2-nitroethenyl]phenyl]boronic acid, X2395, B-3900, 3-[(e)-2-nitrovinyl]phenylboronic acid, AldrichCPR, I04-1703, C8H8BNO4, CID5909799, [3-(2-nitroethenyl)phenyl]boronic Acid, (E)-(4-(2-Nitrovinyl)phenyl)boronic acid, 216394-04-6, Boronic acid,B-[3-[(1E)-2-nitroethenyl]phenyl]-,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	193.055g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	192.965g/mol
Monoisotopic Mass	193.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.3A^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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