AG008Z3F

1205515-06-5 | 3-Bromo-5-(hydroxymethyl)benzonitrile

AG008Z3F

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CAS Number	1205515-06-5
Catalog Number	AG008Z3F(AGN-PC-0HD0CB)
Chemical Name	3-Bromo-5-(hydroxymethyl)benzonitrile
IUPAC Name	3-bromo-5-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6BrNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI Key	NDZGRXPTEKVBMA-UHFFFAOYSA-N
MDL Number	MFCD09261039
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	N#CC1=CC(CO)=CC(Br)=C1
Synonyms	3-Bromo-5-(hydroxymethyl)benzonitrile, 1205515-06-5, 3-Bromo-5-cyanobenzyl alcohol, SCHEMBL2161079, DTXSID70736804, NDZGRXPTEKVBMA-UHFFFAOYSA-N, 3-Bromo-5-hydroxymethylbenzonitrile, 3562AA, MFCD09261039, ZINC91297108, AKOS016010748, FCH1391916, NE44391, AS-46413, BBV-40268023, AJ-129290, AX8245328, FT-0719579, EN300-187016, Z1945700445, 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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