AG00FAYN

74417-44-0 | 1-BROMOMETHYL-ISOQUINOLINE

AG00FAYN

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CAS Number	74417-44-0
Catalog Number	AG00FAYN(AGN-PC-0KKXE4)
Chemical Name	1-BROMOMETHYL-ISOQUINOLINE
IUPAC Name	1-(bromomethyl)isoquinoline
InChI	InChI=1S/C10H8BrN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7H2
InChI Key	WGMSTZBEMVJMCR-UHFFFAOYSA-N
MDL Number	MFCD06657041
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	BrCC1=NC=CC2=C1C=CC=C2
Synonyms	1-(bromomethyl)isoquinoline, 74417-44-0, 1-bromomethyl-isoquinoline, 1-Bromomethylisoquinoline, Isoquinoline, 1-(bromomethyl)-, AC1MCQTR, SCHEMBL242954, DTXSID90379919, WGMSTZBEMVJMCR-UHFFFAOYSA-N, ZINC158611, CS-D1633, KS-00000DK9, 9770AH, MFCD06657041, AKOS009157635, DS-7653, AJ-15251, AK143408, AM101217, CJ-01782, SC-58602, SY033004, ZB006968, AB0052104, DB-074817, FT-0762142, MFCD06657041 (95%), X-1628, C10H8BrN, ZINC00158611, ACN-044797, CID2776246,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.085g/mol
Monoisotopic Mass	220.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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