AG000B58

114344-60-4 | Benzonitrile, 2-amino-3-bromo-

AG000B58

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CAS Number	114344-60-4
Catalog Number	AG000B58(AGN-PC-0LDC4O)
Chemical Name	Benzonitrile, 2-amino-3-bromo-
IUPAC Name	2-amino-3-bromobenzonitrile
InChI	InChI=1S/C7H5BrN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChI Key	RTIWACSVMFUEBF-UHFFFAOYSA-N
MDL Number	MFCD05670539
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	C(#N)c1c(N)c(Br)ccc1
Synonyms	2-amino-3-bromobenzonitrile, 114344-60-4, Benzonitrile, 2-amino-3-bromo-, 2-Bromo-6-cyanoaniline, 2-amino-3-bromo-benzonitrile, AK-59808, 3-Bromoanthranilonitrile, AC1NCT8V, SCHEMBL247549, CTK4A8696, DTXSID60404303, RTIWACSVMFUEBF-UHFFFAOYSA-N, ZINC4054810, ZX-AT006259, 2375AA, ANW-57198, BBL102824, MFCD05670539, STL556632, AKOS015891535, AS05772, CM12902, DS-2212, FCH1122630, OR17500, PS-3955, TRA0048589, KS-000009T9, AC-28625, ACM114344604, AJ-47840, BBV-39697143, CJ-11290, SC-22937, SY004372, AB0061428, AB1000095, AX8174024, DB-012776, TC-145943, 4CH-000858, CS-0028250, FT-0752401, ST24027708, K-1045, MFCD05670539 (97+%), I01-9991, null, C7H5BrN2, 2-BROMO-3-CYANOANILINE, ZINC04054810, ACN-052117, CID4564338,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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