AG00EQTG

581812-99-9 | (4-Bromo-3-fluorophenyl)methanamine

AG00EQTG

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CAS Number	581812-99-9
Catalog Number	AG00EQTG(AGN-PC-03O8XG)
Chemical Name	(4-Bromo-3-fluorophenyl)methanamine
IUPAC Name	(4-bromo-3-fluorophenyl)methanamine
InChI	InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChI Key	CVIUPXRJEKIHDP-UHFFFAOYSA-N
MDL Number	MFCD12546114
Molecular Formula	C7H7BrFN
Molecular Weight	204.0396
SMILES	NCC1=CC=C(Br)C(F)=C1
Synonyms	(4-bromo-3-fluorophenyl)methanamine, 581812-99-9, 4-Bromo-3-fluorobenzylamine, Benzenemethanamine, 4-bromo-3-fluoro-, SCHEMBL855443, AC1Q53V6, CTK7E4188, DTXSID90624951, CVIUPXRJEKIHDP-UHFFFAOYSA-N, MFCD12546114, ZINC39947608, AKOS010971470, 1-(4-Bromo-3-fluorophenyl)methanamine, MCULE-3707816262, AS-43969, SC-14371, AJ-100682, FT-0704640, EN300-59618, Z234896705, 4-bromo-3-fluoroBenzenemethanamine,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.975g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.042g/mol
Monoisotopic Mass	202.975g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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