AG003KP8

50397-74-5 | 4-AMino-3-broMobenzonitrile

AG003KP8

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CAS Number	50397-74-5
Catalog Number	AG003KP8(AGN-PC-0K6AIR)
Chemical Name	4-AMino-3-broMobenzonitrile
IUPAC Name	4-amino-3-bromobenzonitrile
InChI	InChI=1S/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
InChI Key	POESQIHWIIWNJL-UHFFFAOYSA-N
MDL Number	MFCD01861386
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	NC1=C(Br)C=C(C=C1)C#N
Synonyms	4-Amino-3-bromobenzonitrile, 50397-74-5, 3-Bromo-4-aminobenzonitrile, 2-Bromo-4-cyanoaniline, benzonitrile, 4-amino-3-bromo-, 4-Amino-3-bromo-benzonitrile, 4-amino-3-brombenzonitrile, BUTTPARK 35\03-64, 4-amino-3-bromobenzenecarbonitrile, MFCD01861386, AK-35354, EN300-30639, J-640248, PubChem4609, ACMC-209klz, AC1LTV4X, 4-amino-3-bromobenzonitile, AC1Q50HS, 4-amino-3-bromobenzo-nitrile, KSC494A4H, SCHEMBL616196, CTK3J4043, DTXSID10363931, POESQIHWIIWNJL-UHFFFAOYSA-N, ART-CHEM-BB ACB000171, ACN-S003881, ACT12293, KS-000009WR, ZINC1437414, ZX-AT006115, 4-Amino-3-bromobenzonitrile, 97%, ANW-30981, FC1040, OR7631, SBB016927, AKOS001466128, AC-1795, AM61569, AS01596, CA-1866, CS-W002840, FCH2088841, MCULE-4115017317, PS-5927, RTC-050950, TRA0022334, VZ26423, 4-azanyl-3-bromanyl-benzenecarbonitrile, NCGC00341249-01, AJ-26018, AN-14594, BBV-38371898, BC002790, BC211035, CC-14403, CJ-05034, CJ-23475, SC-53820, SY018639, AB0030539, AX8004310, DB-022326, ST2418091, TC-050950, FT-0085037, FT-0639896, ST50406062, V6254, A-5740, AB01153928-03, MFCD01861386 (97+%), 397A745, A828100, C-09030, I01-2414, J-800247, Z317046470, Diphenylmethanethiol, C7H5BrN2, ZINC01437414, CID1515279, A1723, A1961, D1244, 4-Amino-3-bromobenzonitrile, 98% - 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
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number