AG002LT7

22991-03-3 | Benzenepropanol, 3-chloro-

AG002LT7

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CAS Number	22991-03-3
Catalog Number	AG002LT7(AGN-PC-0MWUWU)
Chemical Name	Benzenepropanol, 3-chloro-
IUPAC Name	3-(3-chlorophenyl)propan-1-ol
InChI	InChI=1S/C9H11ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2
InChI Key	XPEMWIXPCKLTBK-UHFFFAOYSA-N
MDL Number	MFCD09028713
Molecular Formula	C9H11ClO
Molecular Weight	170.6360
SMILES	OCCCC1=CC=CC(Cl)=C1
Synonyms	3-(3-chlorophenyl)propan-1-ol, 22991-03-3, 3-(3-chlorophenyl)-1-propanol, 3-(3-Chlorophenyl)propanol, 3-(3-chloro-phenyl)-propan-1-ol, PubChem3101, Benzenepropanol,3-chloro-, Benzenepropanol, 3-chloro-, SCHEMBL82224, ACMC-209g05, CTK4F0636, DTXSID50433708, XPEMWIXPCKLTBK-UHFFFAOYSA-N, AB3572, ANW-25011, MFCD09028713, ZINC19729348, AKOS005217825, AJ-74508, AS-44723, TR-010745, ST24022543, V4535, B-8028, A816463, C9H11ClO, 3- -PROPAN-1-OL, CID9989667,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.05g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.636g/mol
Monoisotopic Mass	170.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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