AG00DCR8

4489-22-9 | 4-bromo-alpha-ethylbenzyl alcohol

AG00DCR8

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CAS Number	4489-22-9
Catalog Number	AG00DCR8(AGN-PC-0RT8VV)
Chemical Name	4-bromo-alpha-ethylbenzyl alcohol
EC Number	224-781-4
IUPAC Name	1-(4-bromophenyl)propan-1-ol
InChI	InChI=1S/C9H11BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3
InChI Key	QLMFTKHAIDWIDC-UHFFFAOYSA-N
MDL Number	MFCD00021911
Molecular Formula	C9H11BrO
Molecular Weight	215.0870
SMILES	CCC(C1=CC=C(Br)C=C1)O
Synonyms	1-(4-bromophenyl)propan-1-ol, 4489-22-9, 1-(4-bromophenyl)-1-propanol, 4-Bromo-alpha-ethylbenzyl alcohol, EINECS 224-781-4, AC1Q2SKY, AC1L31UV, 1-(p-Bromophenyl)-1-propanol, SCHEMBL6686367, CTK1D7681, QLMFTKHAIDWIDC-UHFFFAOYSA-N, MFCD00021911, STK204916, AKOS000125192, AKOS022066143, MCULE-3352562829, W-6255, C9H11BrO, C9-H11-Br-O, CID107290, ZINC00394599,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.09g/mol
Monoisotopic Mass	213.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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