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13188-07-3 | Carbamic chloride, butyl[(butylamino)carbonyl]- (9CI)
CAS No: 13188-07-3 Catalog No: AG000ZV1 MDL No:
Product Description
Catalog Number:
AG000ZV1
Chemical Name:
Carbamic chloride, butyl[(butylamino)carbonyl]- (9CI)
CAS Number:
13188-07-3
Molecular Formula:
C10H19ClN2O2
Molecular Weight:
234.7231
IUPAC Name:
N-butyl-N-(butylcarbamoyl)carbamoyl chloride
InChI:
InChI=1S/C10H19ClN2O2/c1-3-5-7-12-10(15)13(9(11)14)8-6-4-2/h3-8H2,1-2H3,(H,12,15)
InChI Key:
XBEWJHNZCGWVPS-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)N(C(=O)Cl)CCCC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.724g/mol
Monoisotopic Mass:
234.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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