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189323-09-9 | Carbamic acid, N,N-bis(2-bromoethyl)-, phenylmethyl ester
CAS No: 189323-09-9 Catalog No: AG002IAP MDL No:MFCD11519273
Product Description
Catalog Number:
AG002IAP
Chemical Name:
Carbamic acid, N,N-bis(2-bromoethyl)-, phenylmethyl ester
CAS Number:
189323-09-9
Molecular Formula:
C12H15Br2NO2
Molecular Weight:
365.0610
MDL Number:
MFCD11519273
IUPAC Name:
benzyl N,N-bis(2-bromoethyl)carbamate
InChI:
InChI=1S/C12H15Br2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
KZXFVMMTKPFXAO-UHFFFAOYSA-N
SMILES:
BrCCN(C(=O)OCc1ccccc1)CCBr
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.065g/mol
Monoisotopic Mass:
362.947g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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