AG001BWX

140-18-1 | Acetic acid, 2-chloro-, phenylmethyl ester

AG001BWX

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CAS Number	140-18-1
Catalog Number	AG001BWX(AGN-PC-0JK8PZ)
Chemical Name	Acetic acid, 2-chloro-, phenylmethyl ester
EC Number	205-400-0
IUPAC Name	benzyl 2-chloroacetate
InChI	InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	SOGXBRHOWDEKQB-UHFFFAOYSA-N
MDL Number	MFCD00157062
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
NSC Number	8061
SMILES	O=C(OCC1=CC=CC=C1)CCl
Synonyms	Benzyl chloroacetate, benzyl 2-chloroacetate, 140-18-1, Benzyl monochloracetate, Acetic acid, chloro-, phenylmethyl ester, Chloroacetic acid, benzyl ester, Monochloroacetate, Chloroacetic Acid Benzyl Ester, Benzyl-alpha-chloroacetate, PHENYLMETHYL CHLOROACETATE, Acetic acid, 2-chloro-, phenylmethyl ester, Acetic acid, chloro-, benzyl ester, NSC 8061, EINECS 205-400-0, phenylmethyl 2-chloroacetate, BRN 2091502, Benzyl .alpha.-chloroacetate, AI3-18343, SOGXBRHOWDEKQB-UHFFFAOYSA-N, Benzyl chloroacetate, 98%, benzyl monochloroacetate, PubChem22780, ACMC-209cka, chloroacetic benzyl ester, AC1L1RP4, AC1Q3TR5, Benzyl chloroacetate, 99%, WLN: G1VO1R, 4-06-00-02264 (Beilstein Handbook Reference), KSC492G0N, SCHEMBL138306, Jsp002391, DTXSID8059689, CTK3J2306, SOGXBRHOWDEKQB-UHFFFAOYSA-, NSC8061, (phenylmethyl) 2-chloranylethanoate, NSC-8061, ZINC1586381, ANW-20552, BBL034736, MFCD00157062, SBB064876, STL417236, AKOS000100797, MCULE-8284636354, NE11316, 2-chloroacetic acid (phenylmethyl) ester, AC-16894, AJ-27556, AN-43844, CJ-05526, CJ-25245, I409, LS-11246, SC-25618, RT-000495, FT-0622816, EN300-80796, 140B181, A807628, I01-6182, W-108209, InChI=1/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2, Benzylchloroacetate, Benzyl2-chloroacetate, Acetic acid, benzyl ester, C9H9ClO2, 2-Chlorethansaurebenzylester, C9-H9-Cl-O2, Acetic acid, phenylmethyl ester, Chlorethansaure(phenylmethyl)ester, CID8786, c1265,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.619g/mol
Monoisotopic Mass	184.029g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number