AG003H2I

6296-42-0 | 1-(2-Chloroethyl)urea

AG003H2I

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CAS Number	6296-42-0
Catalog Number	AG003H2I(AGN-PC-0JOFNM)
Chemical Name	1-(2-Chloroethyl)urea
IUPAC Name	2-chloroethylurea
InChI	InChI=1S/C3H7ClN2O/c4-1-2-6-3(5)7/h1-2H2,(H3,5,6,7)
InChI Key	BITBMHVXCILUEX-UHFFFAOYSA-N
MDL Number	MFCD00059861
Molecular Formula	C3H7ClN2O
Molecular Weight	122.5535
NSC Number	47538
SMILES	N(C(=O)N)CCCl
Synonyms	2-Chloroethylurea, 1-(2-chloroethyl)urea, 6296-42-0, BITBMHVXCILUEX-UHFFFAOYSA-N, chlorethylurea, chloroethylurea, chloroethyl urea, 2-chloro-ethylurea, 2-Chloroethyl urea, NSC47538, .beta.-Chloroethylurea, (2-chloro-ethyl)-urea, ACMC-209nb5, N-(2-Chloroethyl)urea #, Urea,N-(2-chloroethyl)-, AC1Q3V5Y, SCHEMBL896820, AC1L660S, CTK5B6819, DTXSID10286777, KS-000016ZN, ZINC1679325, N-(2-Chloroethyl)urea, AldrichCPR, ANW-34479, FCH931797, MFCD00059861, NSC-47538, AKOS002666605, CJ-27507, TC-123224, FT-0690611, C-44599, I14-59716, KST-1B7695, AR-1B0656, c0173, CID240817, 6956-96-3,

Complexity	66
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.025g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	122.552g/mol
Monoisotopic Mass	122.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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