AG00GTG2

90110-98-8 | 2-Bromo-4-cyanobenzyl alcohol

AG00GTG2

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CAS Number	90110-98-8
Catalog Number	AG00GTG2(AGN-PC-0VQ22P)
Chemical Name	2-Bromo-4-cyanobenzyl alcohol
IUPAC Name	3-bromo-4-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key	LMKVEJWFFPCGJC-UHFFFAOYSA-N
MDL Number	MFCD09907613
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	BrC=1C=C(C#N)C=CC1CO
Synonyms	3-Bromo-4-(hydroxymethyl)benzonitrile, 90110-98-8, 2-BROMO-4-CYANOBENZYL ALCOHOL, AK123427, 2-Bromo-4-cyanobenzylalcohol, SCHEMBL1232210, CTK5G7416, DTXSID40698485, LMKVEJWFFPCGJC-UHFFFAOYSA-N, CS-D0578, KS-00000R7H, MFCD09907613, RW3520, ZINC71863603, AKOS015994848, DS-7005, FCH1395322, QC-2519, RP26643, CJ-21620, SC-38009, AJ-118751, AX8247605, ST2404939, FT-0697054, V8884, EN300-187129, J-508277, Z2216711530, C8H6BrNO,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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