AG003J1E

823-54-1 | 3-Bromo-4-chloroaniline

AG003J1E

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CAS Number	823-54-1
Catalog Number	AG003J1E(AGN-PC-0NKIK2)
Chemical Name	3-Bromo-4-chloroaniline
IUPAC Name	3-bromo-4-chloroaniline
InChI	InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChI Key	FVZODFVCIDBDGS-UHFFFAOYSA-N
MDL Number	MFCD00173905
Molecular Formula	C6H5BrClN
Molecular Weight	206.4676
SMILES	NC1=CC=C(Cl)C(Br)=C1
Synonyms	3-Bromo-4-chloroaniline, 823-54-1, Benzenamine, 3-bromo-4-chloro-, 3-BROMO-4-CHLORO-PHENYLAMINE, PubChem5307, ACMC-209pod, 3-Bromo-4-chlorobenzenamine, KSC493G6F, SCHEMBL459416, 3-bromanyl-4-chloranyl-aniline, CTK3J3362, DTXSID90511296, FVZODFVCIDBDGS-UHFFFAOYSA-N, WT312, ANW-37547, CL8413, MFCD00173905, ZINC28278227, 823-54-1 3-bromo-4-chloroaniline, AKOS015920430, AS03116, CS-W015301, GS-4079, LS10236, RP26263, RP26266, RTX-011312, TRA0071416, KS-000001I0, AC-28598, AJ-83398, AK-36463, BC002934, BR-36463, CJ-17659, SC-68684, AB0026862, DB-075833, ST2417519, 4CH-002479, B4160, FT-0675956, W8614, B-5466, A840305, J-511914, C6H5BrClN, 3-Bromo-4-chloroaniline, 98% - 1G 1g, 162101-25-9,

Complexity	99.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.929g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.467g/mol
Monoisotopic Mass	204.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P301+P312+P330
UN Code	UN 2811

Certificate of Analysis

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