AG0090F1

1187386-06-6 | Benzyl 1-(4-bromophenyl)cyclopropylcarbamate

AG0090F1

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CAS Number	1187386-06-6
Catalog Number	AG0090F1(AGN-PC-0WACJ8)
Chemical Name	Benzyl 1-(4-bromophenyl)cyclopropylcarbamate
IUPAC Name	benzyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
InChI	InChI=1S/C17H16BrNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChI Key	JEQGBWWBXOGYMZ-UHFFFAOYSA-N
MDL Number	MFCD12546527
Molecular Formula	C17H16BrNO2
Molecular Weight	346.2184
SMILES	O=C(OCC1=CC=CC=C1)NC2(C3=CC=C(Br)C=C3)CC2
Synonyms	1187386-06-6, Benzyl (1-(4-bromophenyl)cyclopropyl)carbamate, BENZYL 1-(4-BROMOPHENYL)CYCLOPROPYLCARBAMATE, AK-91064, Benzyl [1-(4-bromophenyl)cyclopropyl]carbamate, ACMC-2099z8, CTK4B0852, DTXSID10675203, BCP08603, ANW-17202, MFCD12546527, ZINC38537771, AKOS015835659, AM85191, AJ-96226, DS-17142, OR350048, AX8229482, TR-034273, CS-0040986, ST24024633, Z7985, A-5293, benzyl N-[1-(4-bromophenyl)cyclopropyl]carbamate, I14-24849, Carbamic acid, N-[1-(4-bromophenyl)cyclopropyl]-, phenylmethyl ester, C17H16BrNO2, ACN-046637, BENZYL(1-(4-BROMOPHENYL)CYCLOPROPYL)CARBAMATE,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.036g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	346.224g/mol
Monoisotopic Mass	345.036g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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