3-[bis(2-chloroethyl)aminomethyl]-1,3-benzoxazol-2-one

CAS: 7751-31-7

Molecular Formula	`C12H14Cl2N2O2`
Molecular Weight	289.15 g/mol
LogP	2.6
Topological Polar Surface Area	32.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	288.04324
Heavy Atoms	18
Complexity	285.0

Chemical Identifiers

CAS Number	7751-31-7
SMILES	`C1=CC=C2C(=C1)N(C(=O)O2)CN(CCCl)CCCl`
InChIKey	`KDKINIHDQKJCMG-UHFFFAOYSA-N`

📖 Product Overview

3-[bis(2-chloroethyl)aminomethyl]-1,3-benzoxazol-2-one (CAS: 7751-31-7) is a chemical compound with molecular formula C12H14Cl2N2O2 and molecular weight 289.15 g/mol. Its IUPAC systematic name is 3-[bis(2-chloroethyl)aminomethyl]-1,3-benzoxazol-2-one. LogP 2.6 Topological Polar Surface Area 32.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 288.04324 Heavy Atoms 18 Complexity 285.0 InChI Key: KDKINIHDQKJCMG-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)N(C(=O)O2)CN(CCCl)CCCl.

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