AG003KOG

53312-82-6 | 4-Amino-2-bromobenzonitrile

AG003KOG

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CAS Number	53312-82-6
Catalog Number	AG003KOG(AGN-PC-0JWLVK)
Chemical Name	4-Amino-2-bromobenzonitrile
IUPAC Name	4-amino-2-bromobenzonitrile
InChI	InChI=1S/C7H5BrN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
InChI Key	OSYGPHDNNWRFJO-UHFFFAOYSA-N
MDL Number	MFCD03695814
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CC1=CC=C(N)C=C1Br
Synonyms	4-amino-2-bromobenzonitrile, 53312-82-6, MFCD03695814, AK-64862, AC1LGNXE, KSC494A6N, SCHEMBL1361840, Benzonitrile, 4-amino-2-bromo-, CTK3J4066, DTXSID80356451, OSYGPHDNNWRFJO-UHFFFAOYSA-N, ZINC343341, ACT12955, KS-000009VK, ANW-47161, CL8200, AKOS015888251, AM61563, FCH1167123, TRA0069745, AC-23634, AJ-19972, BBV-39756835, BR-64862, CJ-03007, DS-15664, OR350405, SC-36115, SY014436, AB0025335, AX8216133, DB-071657, RT-001839, ST2411066, 4CH-010721, FT-0684421, W6777, C-5254, EN300-110143, MFCD03695814 (97+%), I01-10481, C7H5BrN2, 4-amino-2-bromo-benzonitrile, CID824602, 4-Amino-2-bromobenzonitrile, 97% - 5G 5g,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.964g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.035g/mol
Monoisotopic Mass	195.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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