benzyl N,N-bis(2-bromoethyl)carbamate

benzyl N,N-bis(2-bromoethyl)carbamate

CAS: 189323-09-9

Formula: C12H15Br2NO2

SMILES: BrCCN(CCBr)C(=O)OCC1=CC=CC=C1

IUPAC: 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

Composition: C (39.48%), H (4.14%), Br (43.78%), N (3.84%), O (8.77%)

Molar Mass: 365.065

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	362.946955
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KZXFVMMTKPFXAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.15
Topological Polar Surface Area	29.54
Polarizability	28.89
Ring Count	1
Rotatable Bond Count	7

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