AG000D0B

1166988-09-5 | Benzonitrile, 3-amino-2-bromo-

AG000D0B

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CAS Number	1166988-09-5
Catalog Number	AG000D0B(AGN-PC-0DAJD9)
Chemical Name	Benzonitrile, 3-amino-2-bromo-
IUPAC Name	3-amino-2-bromobenzonitrile
InChI	InChI=1S/C7H5BrN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2
InChI Key	LZGRGCJYIIGEQV-UHFFFAOYSA-N
MDL Number	MFCD13185832
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CC1=CC=CC(N)=C1Br
Synonyms	3-Amino-2-bromobenzonitrile, 1166988-09-5, 3-amino-2-bromo-benzonitrile, AK119902, SCHEMBL898360, Benzonitrile, 3-amino-2-bromo-, CTK8E4359, DTXSID20733848, LZGRGCJYIIGEQV-UHFFFAOYSA-N, KS-00000R2W, 2727AA, MFCD13185832, ZINC83428713, AKOS016011038, DS-6133, FCH1177935, AJ-125972, AX8245318, ST2410424, TX-016668, FT-0717854, EN300-255847, Z2327883440, 2-Bromo-3-methylaniline, C7H5BrN2, 2-BROMO-3-CYANOANILINE, 54879-20-8,

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
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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